REMARK Name = BDB028130 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -3.185 -0.977 -0.263 0.00 0.00 +0.062 C ATOM 2 C LIG 1 -2.820 0.491 -0.046 0.00 0.00 -0.039 A ATOM 3 C LIG 1 -1.936 1.173 -0.898 0.00 0.00 +0.009 A ATOM 4 C LIG 1 -1.587 2.512 -0.659 0.00 0.00 -0.027 A ATOM 5 C LIG 1 -2.158 3.204 0.428 0.00 0.00 -0.041 A ATOM 6 C LIG 1 -3.044 2.530 1.274 0.00 0.00 +0.004 A ATOM 7 C LIG 1 -1.745 4.630 0.754 0.00 0.00 +0.054 C ATOM 8 C LIG 1 -0.891 5.284 -0.345 0.00 0.00 +0.113 C ATOM 9 N LIG 1 0.052 4.305 -0.872 0.00 0.00 -0.293 N ATOM 10 C LIG 1 1.263 4.173 -0.185 0.00 0.00 +0.253 C ATOM 11 O LIG 1 1.774 5.056 0.496 0.00 0.00 -0.270 OA ATOM 12 C LIG 1 1.919 2.868 -0.189 0.00 0.00 +0.113 A ATOM 13 C LIG 1 2.786 2.500 -1.208 0.00 0.00 +0.174 A ATOM 14 C LIG 1 3.304 1.205 -1.237 0.00 0.00 +0.165 A ATOM 15 C LIG 1 2.962 0.268 -0.256 0.00 0.00 +0.029 A ATOM 16 C LIG 1 2.114 0.679 0.780 0.00 0.00 +0.165 A ATOM 17 F LIG 1 1.748 -0.197 1.726 0.00 0.00 -0.202 F ATOM 18 C LIG 1 3.410 -1.166 -0.340 0.00 0.00 +0.041 C ATOM 19 C LIG 1 4.342 -1.587 0.800 0.00 0.00 +0.005 C ATOM 20 C LIG 1 4.303 -3.095 1.080 0.00 0.00 +0.004 C ATOM 21 C LIG 1 2.966 -3.551 1.681 0.00 0.00 +0.041 C ATOM 22 C LIG 1 2.131 -4.402 0.722 0.00 0.00 +0.232 C ATOM 23 O LIG 1 0.822 -4.591 1.259 0.00 0.00 -0.462 OA ATOM 24 C LIG 1 -0.092 -3.634 0.873 0.00 0.00 +0.318 A ATOM 25 N LIG 1 0.021 -3.053 -0.332 0.00 0.00 -0.203 NA ATOM 26 C LIG 1 -0.970 -2.204 -0.676 0.00 0.00 +0.122 A ATOM 27 N LIG 1 -1.094 -3.430 1.736 0.00 0.00 -0.203 NA ATOM 28 C LIG 1 -2.045 -2.558 1.347 0.00 0.00 +0.122 A ATOM 29 F LIG 1 4.102 0.844 -2.251 0.00 0.00 -0.202 F ATOM 30 F LIG 1 3.080 3.353 -2.199 0.00 0.00 -0.202 F ATOM 31 C LIG 1 1.605 1.971 0.824 0.00 0.00 +0.174 A ATOM 32 F LIG 1 0.773 2.317 1.817 0.00 0.00 -0.202 F ATOM 33 C LIG 1 -0.612 3.212 -1.576 0.00 0.00 +0.143 C ATOM 34 C LIG 1 -3.366 1.190 1.042 0.00 0.00 +0.004 A ATOM 35 C LIG 1 -2.057 -1.911 0.125 0.00 0.00 -0.003 A ENDROOT BRANCH 1 36 ATOM 36 C LIG 1 -3.736 -1.209 -1.682 0.00 0.00 +0.133 C BRANCH 36 38 ATOM 37 O LIG 1 -3.978 -3.365 -2.761 0.00 0.00 -0.251 OA ATOM 38 C LIG 1 -4.285 -2.595 -1.867 0.00 0.00 +0.306 C BRANCH 38 39 ATOM 39 O LIG 1 -5.220 -2.929 -0.960 0.00 0.00 -0.481 OA ATOM 40 H LIG 1 -5.493 -3.836 -1.217 0.00 0.00 +0.295 HD ENDBRANCH 38 39 ENDBRANCH 36 38 ENDBRANCH 1 36 TORSDOF 3